3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxybenzoic acid

C15H12Cl2O4 — CID 8706920

IUPAC3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)cc(Cl)c1OCc1ccc(Cl)cc1
InChIInChI=1S/C15H12Cl2O4/c1-20-13-7-10(15(18)19)6-12(17)14(13)21-8-9-2-4-11(16)5-3-9/h2-7H,8H2,1H3,(H,18,19)
InChIKeyUZAIZRXLNZTLLD-UHFFFAOYSA-N
MW327.16 g/mol
LogP4.28
Rot. Bonds5

About 3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxybenzoic acid

3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxybenzoic acid (PubChem CID 8706920) has the molecular formula C15H12Cl2O4 and a molecular weight of 327.16 g/mol. Its IUPAC name is 3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxybenzoic acid.

Molecular Properties

Compound Name3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxybenzoic acid
PubChem CID8706920
Molecular FormulaC15H12Cl2O4
Molecular Weight327.16 g/mol
Exact Mass326.01
IUPAC Name3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)cc(Cl)c1OCc1ccc(Cl)cc1
InChIInChI=1S/C15H12Cl2O4/c1-20-13-7-10(15(18)19)6-12(17)14(13)21-8-9-2-4-11(16)5-3-9/h2-7H,8H2,1H3,(H,18,19)
InChIKeyUZAIZRXLNZTLLD-UHFFFAOYSA-N
XLogP4.28
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.16
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-5-methoxy-4-(thiophen-3-ylmethoxy)benzoic acid
CID 43646189
4-[[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]methyl]benzoic acid
CID 894276
3-chloro-5-methoxy-4-(pyridin-3-ylmethoxy)benzoic acid
CID 16770015
4-[(E)-2-[3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]-1-cyanoethenyl]benzoic acid
CID 124553796
4-[[2-chloro-4-[(E)-2-(4-chlorophenyl)-2-cyanoethenyl]-6-methoxyphenoxy]methyl]benzoic acid
CID 2202748
3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxybenzoic acid
CID 8707053
3-chloro-5-methoxy-4-[[3-[(2-methylpropan-2-yl)oxy]phenyl]methoxy]benzoic acid
CID 142600538
4-[(3-chlorophenyl)methoxy]-3,5-dimethoxybenzoic acid
CID 59303396
2-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]-3-methylbutanoic acid
CID 66527690
methyl 3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxybenzoate
CID 91682250
3-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]-4-methoxybenzoic acid
CID 17059432
3,5-dimethoxy-4-phenylmethoxybenzoic acid;3,5-dimethoxy-4-phenylmethoxybenzoyl chloride
CID 159259540

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxybenzoic acid?
The IUPAC name of 3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxybenzoic acid (CID 8706920) is 3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxybenzoic acid.
What is the SMILES notation for 3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxybenzoic acid?
The canonical SMILES for 3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxybenzoic acid is COc1cc(C(=O)O)cc(Cl)c1OCc1ccc(Cl)cc1.
What is the InChIKey of 3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxybenzoic acid?
The InChIKey is UZAIZRXLNZTLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O4/c1-20-13-7-10(15(18)19)6-12(17)14(13)21-8-9-2-4-11(16)5-3-9/h2-7H,8H2,1H3,(H,18,19).
What are the key properties of 3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxybenzoic acid?
3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxybenzoic acid has a molecular weight of 327.16 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxybenzoic acid is sourced from PubChem (CID 8706920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).